From: <eg...@us...> - 2008-11-16 17:08:41
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Revision: 13136 http://cdk.svn.sourceforge.net/cdk/?rev=13136&view=rev Author: egonw Date: 2008-11-16 17:08:39 +0000 (Sun, 16 Nov 2008) Log Message: ----------- C.ar is only detected with findMatchinAtomType(IAtomContainer) Modified Paths: -------------- cdk/branches/cdk-1.2.x/src/test/org/openscience/cdk/atomtype/SybylAtomTypeMatcherTest.java Modified: cdk/branches/cdk-1.2.x/src/test/org/openscience/cdk/atomtype/SybylAtomTypeMatcherTest.java =================================================================== --- cdk/branches/cdk-1.2.x/src/test/org/openscience/cdk/atomtype/SybylAtomTypeMatcherTest.java 2008-11-16 17:08:16 UTC (rev 13135) +++ cdk/branches/cdk-1.2.x/src/test/org/openscience/cdk/atomtype/SybylAtomTypeMatcherTest.java 2008-11-16 17:08:39 UTC (rev 13136) @@ -130,10 +130,9 @@ // test if the perceived atom types match that SybylAtomTypeMatcher matcher = SybylAtomTypeMatcher.getInstance(benzene.getBuilder()); - for (IAtom atom : benzene.atoms()) { - atom.setAtomTypeName(null); - IAtomType matched = matcher.findMatchingAtomType(benzene, atom); - Assert.assertEquals("C.ar", matched.getAtomTypeName()); + IAtomType[] types = matcher.findMatchingAtomType(benzene); + for (IAtomType type : types) { + Assert.assertEquals("C.ar", type.getAtomTypeName()); } } This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |